1-(benzenesulfonyl)-4-[1-[4-[1-[1-(benzenesulfonyl)indol-4-yl]ethenyl]phenyl]ethenyl]indole

C38H28N2O4S2 — CID 71659596

IUPAC1-(benzenesulfonyl)-4-[1-[4-[1-[1-(benzenesulfonyl)indol-4-yl]ethenyl]phenyl]ethenyl]indole
SMILESC=C(c1ccc(C(=C)c2cccc3c2ccn3S(=O)(=O)c2ccccc2)cc1)c1cccc2c1ccn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C38H28N2O4S2/c1-27(33-15-9-17-37-35(33)23-25-39(37)45(41,42)31-11-5-3-6-12-31)29-19-21-30(22-20-29)28(2)34-16-10-18-38-36(34)24-26-40(38)46(43,44)32-13-7-4-8-14-32/h3-26H,1-2H2
InChIKeyYSMRTVFKGGVTLL-UHFFFAOYSA-N
MW640.79 g/mol
LogP8.19
Rot. Bonds8

About 1-(benzenesulfonyl)-4-[1-[4-[1-[1-(benzenesulfonyl)indol-4-yl]ethenyl]phenyl]ethenyl]indole

1-(benzenesulfonyl)-4-[1-[4-[1-[1-(benzenesulfonyl)indol-4-yl]ethenyl]phenyl]ethenyl]indole (PubChem CID 71659596) has the molecular formula C38H28N2O4S2 and a molecular weight of 640.79 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-[1-[4-[1-[1-(benzenesulfonyl)indol-4-yl]ethenyl]phenyl]ethenyl]indole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-[1-[4-[1-[1-(benzenesulfonyl)indol-4-yl]ethenyl]phenyl]ethenyl]indole
PubChem CID71659596
Molecular FormulaC38H28N2O4S2
Molecular Weight640.79 g/mol
Exact Mass640.15
IUPAC Name1-(benzenesulfonyl)-4-[1-[4-[1-[1-(benzenesulfonyl)indol-4-yl]ethenyl]phenyl]ethenyl]indole
SMILESC=C(c1ccc(C(=C)c2cccc3c2ccn3S(=O)(=O)c2ccccc2)cc1)c1cccc2c1ccn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C38H28N2O4S2/c1-27(33-15-9-17-37-35(33)23-25-39(37)45(41,42)31-11-5-3-6-12-31)29-19-21-30(22-20-29)28(2)34-16-10-18-38-36(34)24-26-40(38)46(43,44)32-13-7-4-8-14-32/h3-26H,1-2H2
InChIKeyYSMRTVFKGGVTLL-UHFFFAOYSA-N
XLogP8.19
TPSA78.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.79
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 11716255
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[1-(benzenesulfonyl)indol-4-yl]methanamine;hydrochloride
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(4-methoxyphenyl)-[1-(4-methylphenyl)sulfonylindol-4-yl]methanone
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benzene-1,3-dicarboxylic acid;[1-(benzenesulfonyl)indol-4-yl]methanamine
CID 174572790
3-[1-(benzenesulfonyl)indol-4-yl]-4-methylidene-1,3-thiazolidine-2,5-dione
CID 22439821
1-(benzenesulfonyl)-5-fluoro-4-iodoindole
CID 118537676
methyl 1-(4-methylphenyl)sulfonylindole-4-carboxylate
CID 10947463
1-(benzenesulfonyl)-4-benzylsulfanylindole
CID 10249146
1-(benzenesulfonyl)indole-3-carboxylate
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CID 10108884

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-[1-[4-[1-[1-(benzenesulfonyl)indol-4-yl]ethenyl]phenyl]ethenyl]indole?
The IUPAC name of 1-(benzenesulfonyl)-4-[1-[4-[1-[1-(benzenesulfonyl)indol-4-yl]ethenyl]phenyl]ethenyl]indole (CID 71659596) is 1-(benzenesulfonyl)-4-[1-[4-[1-[1-(benzenesulfonyl)indol-4-yl]ethenyl]phenyl]ethenyl]indole.
What is the SMILES notation for 1-(benzenesulfonyl)-4-[1-[4-[1-[1-(benzenesulfonyl)indol-4-yl]ethenyl]phenyl]ethenyl]indole?
The canonical SMILES for 1-(benzenesulfonyl)-4-[1-[4-[1-[1-(benzenesulfonyl)indol-4-yl]ethenyl]phenyl]ethenyl]indole is C=C(c1ccc(C(=C)c2cccc3c2ccn3S(=O)(=O)c2ccccc2)cc1)c1cccc2c1ccn2S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-4-[1-[4-[1-[1-(benzenesulfonyl)indol-4-yl]ethenyl]phenyl]ethenyl]indole?
The InChIKey is YSMRTVFKGGVTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28N2O4S2/c1-27(33-15-9-17-37-35(33)23-25-39(37)45(41,42)31-11-5-3-6-12-31)29-19-21-30(22-20-29)28(2)34-16-10-18-38-36(34)24-26-40(38)46(43,44)32-13-7-4-8-14-32/h3-26H,1-2H2.
What are the key properties of 1-(benzenesulfonyl)-4-[1-[4-[1-[1-(benzenesulfonyl)indol-4-yl]ethenyl]phenyl]ethenyl]indole?
1-(benzenesulfonyl)-4-[1-[4-[1-[1-(benzenesulfonyl)indol-4-yl]ethenyl]phenyl]ethenyl]indole has a molecular weight of 640.79 g/mol, XLogP of 8.19, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-[1-[4-[1-[1-(benzenesulfonyl)indol-4-yl]ethenyl]phenyl]ethenyl]indole is sourced from PubChem (CID 71659596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).